BAS 00104514
TL;DR: BAS 00104514 (CAS 300800-67-3) is a chemical compound with molecular formula C21H28N2O7 and molecular weight 420.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-oxo-3-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propyl]isoindole-1,3-dione
Also Known As: BAS 00104514, 2-[3-oxo-3-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)propyl]-1H-isoindole-1,3(2H)-dione, 2-(3-oxo-3-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)propyl)isoindoline-1,3-dione, 2-[3-oxo-3-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propyl]isoindole-1,3-dione, 2-[3-oxo-3-(4,7,10,13-tetraoxa-1-azacyclopentadecyl)propyl]benzo[c]azoline-1,3 -dione
| Molecular Formula | C21H28N2O7 |
|---|---|
| Molecular Weight | 420.19 g/mol |
| LogP | 0.5813 |
| Topological Polar Surface Area | 94.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.18964 |
| Heavy Atoms | 30 |
| Complexity | 688.82 |
Chemical Identifiers
| CAS Number | 300800-67-3 |
|---|---|
| SMILES | C1COCCOCCOCCOCCN1C(=O)CCN2C(=O)C3=CC=CC=C3C2=O |
Product Overview
BAS 00104514 (CAS 300800-67-3), with molecular formula C21H28N2O7 and molecular weight 420.19 g/mol. IUPAC: 2-[3-oxo-3-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propyl]isoindole-1,3-dione.
Chemical Property Profile of BAS 00104514
Property Insights of BAS 00104514
The XLogP value of 0.5813 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00104514. The TPSA of 94.61 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00104514. Following Lipinski's Rule of Five, BAS 00104514 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00104514?
The CAS number of BAS 00104514 is 300800-67-3.
What is the molecular formula of BAS 00104514?
The molecular formula of BAS 00104514 is C21H28N2O7.
What is the molecular weight of BAS 00104514?
The molecular weight of BAS 00104514 is 420.19 g/mol.
Where can I buy BAS 00104514?
You can request a quote for BAS 00104514 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00104514?
Yes, KEHONG BIO provides custom synthesis services for BAS 00104514 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.